UCSF

ZINC38576006

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 29 No

Popular Name: 2-[4-[amino-[2-[(4R)-4-cyanothiazolidin-3-yl]-2-oxo-ethyl]amino]-1-piperidyl]-N-(5-chloro-2-pyridyl) 2-[4-[amino-[2-[(4R)-4-cyanothia…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.76 6.2 -58.23 4 9 1 120 438.965 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPP4-1-E Dipeptidyl Peptidase IV (cluster #1 Of 3), Eukaryotic Eukaryotes 120 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPP4_PIG P22411 Dipeptidyl Peptidase IV, Pig 88 0.34 Binding ≤ 1μM
DPP4_PIG P22411 Dipeptidyl Peptidase IV, Pig 88 0.34 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1)
Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )